SCHEMBL16372736

SCHEMBL16372736

O=C(I)N1c2ccccc2Sc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 17/20 0.70
ACHE P22303 4/20 0.66
NOX1 Q9Y5S8 1/20 0.66
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8739172 0.83 BCHE (0.76) BCHEACHENOX1
SCHEMBL30300504 0.81 BCHE (0.73) BCHEACHENOX1
SCHEMBL4446747 0.81 BCHE (0.73) BCHEACHENOX1
SCHEMBL30882096 0.79 BCHE (0.70) BCHEACHENOX1GAAMAPT
SCHEMBL341905 0.79 NOX1 (1.00) BCHEACHENOX1GAAMAPT
SCHEMBL522271 0.79 BCHE (0.70) BCHEACHENOX1GAAMAPT
SCHEMBL30743852 0.79 BCHE (0.70) BCHEACHENOX1GAAMAPT
SCHEMBL4778133 0.79 BCHE (0.70) BCHEACHENOX1GAAMAPT
SCHEMBL30198410 0.79 NOX1 (1.00) BCHEACHENOX1GAAMAPT
SCHEMBL4776664 0.79 BCHE (1.00) BCHEACHENOX1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2966078-A2 Inhibitors of histone deacetylase MethylGene Inc. (CA) 2016-01-13 EP disclosed
EP-2343286-B1 Dibenzo[b,f][1,4]oxazepine derivatives as inhibitors of histone deacetylase METHYLGENE INC (CA) 2014-12-31 EP disclosed